(1s 2 2s 2 2p 4 5p 1 ) 4 S F 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4051.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 5p- electron | |
| 1 | 2p | 1.938035 | .02868335 |
| 2 | 3p | .576289 | -.39960531 |
| 3 | 4p | .222956 | 1.69082837 |
| 4 | 5p | .239190 | -2.87700577 |
| 5 | 2p | 4.465006 | .01582584 |
| 6 | 5p | 5.507732 | .00213734 |
| 7 | 5p | .366894 | .87204320 |
| 8 | 3p | 9.038122 | -.00055198 |
| ORB.ENERGY,a.u. | -.027602 | ||
| NORM | 1.000001 | < R > | 26.242374 | < R2 > | 776.751639 | < 1/R > | .052762 | < 1/R**2 > | .008995 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.261207 | .68001969 |
| 2 | 2p | 4.027400 | .30051615 |
| 3 | 2p | 8.116651 | .02394766 |
| 4 | 3p | 1.501143 | .09562729 |
| 5 | 4p | 22.443822 | -.00008255 |
| 6 | 4p | 1.378714 | -.04424466 |
| 7 | 5p | 10.510983 | .00426982 |
| 8 | 5p | 1.327503 | .01121703 |
| 9 | 5p | .141522 | -.00061711 |
| ORB.ENERGY,a.u. | -1.146800 | ||
| NORM | 1.000000 | < R > | .969845 | < R2 > | 1.195734 | < 1/R > | 1.377843 | < 1/R**2 > | 2.732171 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.492331 | .30237979 |
| 2 | 2s | 3.280467 | -.83680707 |
| 3 | 3s | 2.606876 | -.31917472 |
| 4 | 4s | 4.805662 | .03027520 |
| 5 | 3s | 8.732303 | .02664192 |
| 6 | 5s | 19.313855 | .00072134 |
| 7 | 5s | 2.257742 | -.00510274 |
| 8 | 2s | 50.301436 | .00000748 |
| ORB.ENERGY,a.u. | -1.378300 | ||
| NORM | 1.000000 | < R > | .961005 | < R2 > | 1.108829 | < 1/R > | 1.503226 | < 1/R**2 > | 9.294849 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.234501 | .87177017 |
| 2 | 1s | 12.237494 | .12095171 |
| 3 | 1s | 8.899484 | .00307109 |
| 4 | 2s | 5.999911 | .01818440 |
| 5 | 3s | 8.219011 | -.00754724 |
| 6 | 4s | 17.095285 | .00293863 |
| 7 | 5s | 52.183060 | -.00004116 |
| 8 | 5s | 4.136754 | .00043764 |
| ORB.ENERGY,a.u. | -25.624000 |
| NORM | 1.000000 | < R > | .175670 | < R2 > | .041563 | < 1/R > | 8.632428 | < 1/R**2 > | 150.886688 |
Total Energy= -98.85976027 a.u.
Kinetic Energy= 98.85932739 a.u.
Potential Energy= -197.71908766 a.u.
Virial Ratio = -2.00000438